N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C27H30N2O4S — CID 2867399

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)CC2CCCO2)cc1
InChIInChI=1S/C27H30N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-5,8-15,21-22,30H,6-7,16-19H2,1H3
InChIKeyDEYPIWBDRZQCCL-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.33
Rot. Bonds8

About N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2867399) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2867399
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)CC2CCCO2)cc1
InChIInChI=1S/C27H30N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-5,8-15,21-22,30H,6-7,16-19H2,1H3
InChIKeyDEYPIWBDRZQCCL-UHFFFAOYSA-N
XLogP4.33
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2867399) is N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)CC2CCCO2)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DEYPIWBDRZQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-5,8-15,21-22,30H,6-7,16-19H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 478.61 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2867399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).